3-hydroxy-2-(2-methylpropyl)-4-phenylsulfanyl-1,2-dihydropyrrol-5-one

C14H17NO2S — CID 54724635

IUPAC3-hydroxy-2-(2-methylpropyl)-4-phenylsulfanyl-1,2-dihydropyrrol-5-one
SMILESCC(C)CC1NC(=O)C(Sc2ccccc2)=C1O
InChIInChI=1S/C14H17NO2S/c1-9(2)8-11-12(16)13(14(17)15-11)18-10-6-4-3-5-7-10/h3-7,9,11,16H,8H2,1-2H3,(H,15,17)
InChIKeyLFRJZDRWXBJURY-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.09
Rot. Bonds4

About 3-hydroxy-2-(2-methylpropyl)-4-phenylsulfanyl-1,2-dihydropyrrol-5-one

3-hydroxy-2-(2-methylpropyl)-4-phenylsulfanyl-1,2-dihydropyrrol-5-one (PubChem CID 54724635) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-hydroxy-2-(2-methylpropyl)-4-phenylsulfanyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-methylpropyl)-4-phenylsulfanyl-1,2-dihydropyrrol-5-one
PubChem CID54724635
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name3-hydroxy-2-(2-methylpropyl)-4-phenylsulfanyl-1,2-dihydropyrrol-5-one
SMILESCC(C)CC1NC(=O)C(Sc2ccccc2)=C1O
InChIInChI=1S/C14H17NO2S/c1-9(2)8-11-12(16)13(14(17)15-11)18-10-6-4-3-5-7-10/h3-7,9,11,16H,8H2,1-2H3,(H,15,17)
InChIKeyLFRJZDRWXBJURY-UHFFFAOYSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-2-(2-methylpropyl)-4-phenylsulfanyl-1,2-dihydropyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-methylpropyl)-4-phenylsulfanyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-hydroxy-2-(2-methylpropyl)-4-phenylsulfanyl-1,2-dihydropyrrol-5-one (CID 54724635) is 3-hydroxy-2-(2-methylpropyl)-4-phenylsulfanyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-hydroxy-2-(2-methylpropyl)-4-phenylsulfanyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-hydroxy-2-(2-methylpropyl)-4-phenylsulfanyl-1,2-dihydropyrrol-5-one is CC(C)CC1NC(=O)C(Sc2ccccc2)=C1O.
What is the InChIKey of 3-hydroxy-2-(2-methylpropyl)-4-phenylsulfanyl-1,2-dihydropyrrol-5-one?
The InChIKey is LFRJZDRWXBJURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-9(2)8-11-12(16)13(14(17)15-11)18-10-6-4-3-5-7-10/h3-7,9,11,16H,8H2,1-2H3,(H,15,17).
What are the key properties of 3-hydroxy-2-(2-methylpropyl)-4-phenylsulfanyl-1,2-dihydropyrrol-5-one?
3-hydroxy-2-(2-methylpropyl)-4-phenylsulfanyl-1,2-dihydropyrrol-5-one has a molecular weight of 263.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-methylpropyl)-4-phenylsulfanyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 54724635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).